On Wed, Jul 30, 2003, Petrodler.aol.com wrote:
> I think it is possible to calculate the chemical
> potential by the Gibbs Ensemble Monte Carlo Method.
This is certianly possible, but there is no routine inside Amber to
automatically carry this out; you would have to do some programming.
...good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Jul 30 2003 - 17:53:02 PDT